5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline

C15H25ClN2O — CID 114853034

IUPAC5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccc(Cl)cc1N(CCOC)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-5-17-11-13-6-7-14(16)10-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyGYHUAIDOQPLLCM-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.31
Rot. Bonds8

About 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline

5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline (PubChem CID 114853034) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
PubChem CID114853034
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccc(Cl)cc1N(CCOC)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-5-17-11-13-6-7-14(16)10-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyGYHUAIDOQPLLCM-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
CID 114844506
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82947935
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
CID 114850215
1-[5-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 114850641
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 114848070
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The IUPAC name of 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline (CID 114853034) is 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The canonical SMILES for 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline is CCNCc1ccc(Cl)cc1N(CCOC)C(C)C.
What is the InChIKey of 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The InChIKey is GYHUAIDOQPLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-5-17-11-13-6-7-14(16)10-15(13)18(12(2)3)8-9-19-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline?
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline has a molecular weight of 284.83 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 114853034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).